Catalytic dehydrogenation efficiency of carbon quantum supported Ni nanoparticles and synthesized via dimethylformamide (DMF)

Abstract

In this study, carbon quantum dot catalysis Ni@MOFCQDs synthesized via dimethylformamide (DMF) and urea molecules supported by nickel metal, was designed both theoretically and experimentally. Borane Dimethylamine Complex (DMAB) and Sodium Borohydride (SBH) were used to evaluate the dehydrogenation performance of this catalysis. The Ni@MOFCQDs nanocatalyst development stages were characterized using some analytical methods, and was theoretically optimized under the non-self-consistent GFN1xTB (Geometries, Frequencies, and Non-covalent interactions Tight Binding). At the same time the dehydrogenation kinetics of hydrogen sources in the Ni@MOFCQDs were investigated by using the optimum amount of sodium hydroxide, catalyst amounts, substrate concentration. The dehydration rates of SBH and DMAB in Ni@MOFCQDs nanocatalyst are measured as 1542 and 862 mL/g.min, respectively. Theoretically, the formation of Ni@MOFCQDs in CQDs synthesized in DMF is found to be 30 % more efficient in both SBH and DMAB hydrolyses when comparing to Ni@CQDs synthesized in water. So it is seen that SBH hydrolysis is 150 % more efficient than DMAB hydrolysis in both Ni@CQD and Ni@MOFCQDs catalysis. Ni-centered stabilization of organic small molecules with C-N single bonds was found to exhibit good dehydrogenation performance. It is clear that increasing the number of C-N molecules in electrostatically active area of the transition metal's d orbital supports catalytic performance.